# data_comp_list loop_ _chem_comp.id _chem_comp.three_letter_code _chem_comp.name _chem_comp.group _chem_comp.number_atoms_all _chem_comp.number_atoms_nh _chem_comp.desc_level GP3 GP3 'DIGUANOSINE-5"-TRIPHOSPHATE ' non-polymer 78 51 M # data_comp_GP3 # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.type_symbol _chem_comp_atom.type_energy _chem_comp_atom.partial_charge GP3 AN9 N . 0.000 GP3 AC8 C . 0.000 GP3 AN7 N . 0.000 GP3 AC5 C . 0.000 GP3 AC6 C . 0.000 GP3 AO6 O . 0.000 GP3 AN1 N . 0.000 GP3 AC2 C . 0.000 GP3 AN2 N . 0.000 GP3 AN3 N . 0.000 GP3 AC4 C . 0.000 GP3 AO5* O . 0.000 GP3 AC5* C . 0.000 GP3 AC4* C . 0.000 GP3 AO4* O . 0.000 GP3 AC3* C . 0.000 GP3 AO3* O . 0.000 GP3 AC2* C . 0.000 GP3 AO2* O . 0.000 GP3 AC1* C . 0.000 GP3 PA P . 0.000 GP3 O1A O . 0.000 GP3 O2A O . 0.000 GP3 O3A O . 0.000 GP3 PB P . 0.000 GP3 O1B O . 0.000 GP3 O2B O . 0.000 GP3 O3B O . 0.000 GP3 PG P . 0.000 GP3 O1G O . 0.000 GP3 O2G O . 0.000 GP3 BO5* O . 0.000 GP3 BC5* C . 0.000 GP3 BC4* C . 0.000 GP3 BO4* O . 0.000 GP3 BC3* C . 0.000 GP3 BO3* O . 0.000 GP3 BC2* C . 0.000 GP3 BO2* O . 0.000 GP3 BC1* C . 0.000 GP3 BN9 N . 0.000 GP3 BC8 C . 0.000 GP3 BN7 N . 0.000 GP3 BC5 C . 0.000 GP3 BC6 C . 0.000 GP3 BO6 O . 0.000 GP3 BN1 N . 0.000 GP3 BC2 C . 0.000 GP3 BN2 N . 0.000 GP3 BN3 N . 0.000 GP3 BC4 C . 0.000 GP3 AH8 H . 0.000 GP3 AH1 H . 0.000 GP3 AH21 H . 0.000 GP3 AH22 H . 0.000 GP3 AH51 H . 0.000 GP3 AH52 H . 0.000 GP3 AH4* H . 0.000 GP3 AHO2 H . 0.000 GP3 AH3* H . 0.000 GP3 AHO3 H . 0.000 GP3 AH2* H . 0.000 GP3 AH1* H . 0.000 GP3 HOA2 H . 0.000 GP3 HOB2 H . 0.000 GP3 HOG2 H . 0.000 GP3 BH8 H . 0.000 GP3 BH1 H . 0.000 GP3 BH21 H . 0.000 GP3 BH22 H . 0.000 GP3 BH51 H . 0.000 GP3 BH52 H . 0.000 GP3 BH4* H . 0.000 GP3 BH3* H . 0.000 GP3 BHO3 H . 0.000 GP3 BH2* H . 0.000 GP3 BHO2 H . 0.000 GP3 BH1* H . 0.000 loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.type GP3 AN9 AC1* single GP3 AN9 AC8 single GP3 AN9 AC4 single GP3 AC8 AN7 double GP3 AC8 AH8 single GP3 AN7 AC5 single GP3 AC5 AC6 single GP3 AC5 AC4 double GP3 AC6 AO6 double GP3 AC6 AN1 single GP3 AN1 AC2 single GP3 AN1 AH1 single GP3 AC2 AN2 single GP3 AC2 AN3 double GP3 AN2 AH21 single GP3 AN2 AH22 single GP3 AN3 AC4 single GP3 AO5* AC5* single GP3 AO5* PA single GP3 AC5* AC4* single GP3 AC5* AH51 single GP3 AC5* AH52 single GP3 AC4* AO4* single GP3 AC4* AC3* single GP3 AC4* AH4* single GP3 AO4* AC1* single GP3 AC3* AO3* single GP3 AC3* AC2* single GP3 AC3* AH3* single GP3 AO3* AHO3 single GP3 AC2* AO2* single GP3 AC2* AC1* single GP3 AC2* AH2* single GP3 AO2* AHO2 single GP3 AC1* AH1* single GP3 PA O1A double GP3 PA O2A single GP3 PA O3A single GP3 O2A HOA2 single GP3 O3A PB single GP3 PB O1B double GP3 PB O2B single GP3 PB O3B single GP3 O2B HOB2 single GP3 O3B PG single GP3 PG BO5* single GP3 PG O1G double GP3 PG O2G single GP3 O2G HOG2 single GP3 BO5* BC5* single GP3 BC5* BC4* single GP3 BC5* BH51 single GP3 BC5* BH52 single GP3 BC4* BO4* single GP3 BC4* BC3* single GP3 BC4* BH4* single GP3 BO4* BC1* single GP3 BC3* BO3* single GP3 BC3* BC2* single GP3 BC3* BH3* single GP3 BO3* BHO3 single GP3 BC2* BO2* single GP3 BC2* BC1* single GP3 BC2* BH2* single GP3 BO2* BHO2 single GP3 BC1* BN9 single GP3 BC1* BH1* single GP3 BN9 BC8 single GP3 BN9 BC4 single GP3 BC8 BN7 double GP3 BC8 BH8 single GP3 BN7 BC5 single GP3 BC5 BC6 single GP3 BC5 BC4 double GP3 BC6 BO6 double GP3 BC6 BN1 single GP3 BN1 BC2 single GP3 BN1 BH1 single GP3 BC2 BN2 single GP3 BC2 BN3 double GP3 BN2 BH21 single GP3 BN2 BH22 single GP3 BN3 BC4 single